2-(2,5-dimethylphenyl)sulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]ethanamide

Systemtic Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-[(2-nitrophenyl)amino]ethyl]ethanamide Openeye Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-nitroanilino)ethyl]acetamide CAS Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(2-nitroanilino)ethyl]acetamide IUPAC Name: 2-(2,5-dimethylphenyl)sulfanyl-N-[2-(2-nitroanilino)ethyl]acetamide Traditional Name: 2-[(2,5-dimethylphenyl)thio]-N-[2-(2-nitroanilino)ethyl]acetamide Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)SCC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)SCC(=O)NCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C18H21N3O3S/c1-13-7-8-14(2)17(11-13)25-12-18(22)20-10-9-19-15-5-3-4-6-16(15)21(23)24/h3-8,11,19H,9-10,12H2,1-2H3,(H,20,22)